N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine

C13H19N3O2 — CID 82457723

IUPACN-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CC2)nc(C2CCCO2)n1
InChIInChI=1S/C13H19N3O2/c1-2-17-12-8-11(14-9-5-6-9)15-13(16-12)10-4-3-7-18-10/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyGINCDZCUEJFSPZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.30
Rot. Bonds5

About N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine

N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine (PubChem CID 82457723) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
PubChem CID82457723
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine
SMILESCCOc1cc(NC2CC2)nc(C2CCCO2)n1
InChIInChI=1S/C13H19N3O2/c1-2-17-12-8-11(14-9-5-6-9)15-13(16-12)10-4-3-7-18-10/h8-10H,2-7H2,1H3,(H,14,15,16)
InChIKeyGINCDZCUEJFSPZ-UHFFFAOYSA-N
XLogP2.30
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)-6-propoxypyrimidin-4-amine
CID 82457766
N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457767
2-(oxolan-2-yl)-6-propoxypyrimidin-4-amine
CID 82457771
6-(2-methylpropoxy)-2-(oxolan-2-yl)-N-pentylpyrimidin-4-amine
CID 82457782
6-butoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457803
2-cyclohexyl-N-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82458391
N-(3-ethoxypropyl)-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457692
N-[(4-fluorophenyl)methyl]-6-methoxy-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457717
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
6-(2-methylpropoxy)-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82457787
6-butoxy-N-cyclohexyl-2-cyclopropylpyrimidin-4-amine
CID 82456524
6-ethoxy-2-methyl-N-(4-propylcyclohexyl)pyrimidin-4-amine
CID 66324652

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine (CID 82457723) is N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine is CCOc1cc(NC2CC2)nc(C2CCCO2)n1.
What is the InChIKey of N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
The InChIKey is GINCDZCUEJFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-17-12-8-11(14-9-5-6-9)15-13(16-12)10-4-3-7-18-10/h8-10H,2-7H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine?
N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine has a molecular weight of 249.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-ethoxy-2-(oxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82457723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).